title: Molecular modelling of co-receptor CD8 alpha alpha and its complex with MHC class I and T-cell receptor in sea bream (Sparus aurata).
abstract: T-cells are the main actors of cell-mediated immune defence; they recognize and respond to peptide antigens associated with MHC class I and class II molecules. In this paper, we investigated by molecular modelling methods in the teleost sea bream (Sparus aurata) the interaction among the molecules of the tertiary complex CD8/MHC-I/TCR, which determines the T-cell-mediated immunological response to foreign molecules. First, we predicted the three-dimensional structure of CD8 alpha alpha dimer and MHC-I, and, successively, we simulated the CD8 alpha alpha/MHC-I complex. Finally, the 3D structure of the CD8/MHC-I/TCR complex was simulated in order to investigate the possible changes that can influence TCR signalling events.
authors.affiliation: Laboratorio di Bioinformatica e Biologia Computazionale, Istituto di Scienze dell'Alimentazione - CNR, via Roma 52 A/C, 83100 Avellino, Italy.
authors.forename: Susan
authors.initials: S
authors.lastname: Costantini
authors.forename: Francesco
authors.initials: F
authors.lastname: Buonocore
authors.forename: Angelo M
authors.initials: AM
authors.lastname: Facchiano
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D016827:CD8 Antigens / Q000737:chemistry* / Q000276:immunology; D003198:Computer Simulation; D015395:Histocompatibility Antigens Class I / Q000737:chemistry* / Q000276:immunology; D007111:Immunity, Cellular / Q000276:immunology; D008958:Models, Molecular; D008969:Molecular Sequence Data; D011948:Receptors, Antigen, T-Cell / Q000737:chemistry* / Q000276:immunology; D021541:Sea Bream / Q000276:immunology*; D016415:Sequence Alignment; D013816:Thermodynamics
chemical_list: D016827:CD8 Antigens; C409469:CD8 antigen, alpha chain; D015395:Histocompatibility Antigens Class I; D011948:Receptors, Antigen, T-Cell